Triflumizole

Base Information

• Chemical Name: Triflumizole
• CAS No.: 68694-11-1
• Deprecated CAS: 128395-88-0,124282-24-2,121280-28-2,99387-89-0,99403-07-3,136169-57-8,1135441-23-4,121280-28-2,124282-24-2,136169-57-8,99403-07-3
• Molecular Formula: C15H15 Cl F3 N3 O
• Molecular Weight: 345.752
• Hs Code.: 2933290015
• European Community (EC) Number: 614-708-8,619-427-4
• ICSC Number: 1252
• UN Number: 3077
• UNII: 7J6Y4H9MV5
• DSSTox Substance ID: DTXSID2032500,DTXSID20860885
• Nikkaji Number: J43.105B,J26.588H
• Wikidata: Q2519096
• ChEMBL ID: CHEMBL463781
• Mol file: 68694-11-1.mol

Synonyms:1-(1-((4-chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole;triflumizol;triflumizole;trifumin

Chemical Property of Triflumizole

Chemical Property:

• Appearance/Colour: COLOURLESS CRYSTALS.
• Melting Point: 63.5°C
• Boiling Point: 421.2 °C at 760 mmHg
• PKA: 3.21±0.10(Predicted)
• Flash Point: 208.6 °C
• PSA: 39.41000
• Density: 1.29 g/cm³
• LogP: 4.56020
• Storage Temp.: 0-6°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 345.0855743
• Heavy Atom Count: 23
• Complexity: 406

Purity/Quality:

98% ^*data from raw suppliers

Triflumizole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2
• Recent ClinicalTrials: Safety of Active Immunotherapy in Subjects With Ovarian Cancer
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying or when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is mildly irritating to the eyes.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization. The substance may have effects on the liver. This may result in impaired functions. Animal tests show that this substance possibly causes toxicity to human reproduction or development.
• Uses: Triflumizole is an conazole fungicide is an imidazole fungicide used on many food and ornamental crops.

Technology Process of Triflumizole

There total 2 articles about Triflumizole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1H-imidazole (288-32-4) + phosgene (75-44-5) + N-(n-propoxymethylformyl)-4-chloro-α,α,α-trifluorotoluidine (68836-61-3) → triflumizole (68694-11-1,99387-89-0)

Guidance literature:

With triethylamine; In hexane; chloroform;

Reference yield:

→ triflumizole (68694-11-1,99387-89-0)

Guidance literature:

Reference yield:

triflumizole (68694-11-1,99387-89-0) + β‐cyclodextrin (7585-39-9) → 2C42H70O35*C15H15ClF3N3O

Guidance literature:

In chloroform;

DOI:10.1007/BF01277627

upstream raw materials:

1H-imidazole

phosgene

N-(n-propoxymethylformyl)-4-chloro-α,α,α-trifluorotoluidine

Refernces

• 1、 -. "Iminoacetic acid amides and their use as pest control agents". . . Retrieved 2008/06/13.
• 2、 -. "Method for the treatment of plants with agrochemical tablet compositions". . . Retrieved 2008/06/13.